name total energy Backbone Hbon Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds HSE1_1SEM-15_1.PDB 0.92000 -38.11000 -12.40000 -71.32000 -4.98000 87.34000 -93.17000 8.58000 37.11000 89.87000 0.00000 0.00000 0.00000 2.61000 17.95000 0.00000 -2.28000 0.00000 -2.32000 0.00000 0.00000 64.00000 HSE1_1SEM-15_2.PDB 0.99000 -38.86000 -12.83000 -71.15000 -4.52000 86.54000 -93.12000 8.51000 36.62000 90.14000 0.00000 0.00000 0.00000 3.81000 18.21000 0.00000 -2.24000 0.00000 -1.90000 0.00000 0.00000 64.00000 HSE1_1SEM-15_3.PDB 1.01000 -38.97000 -14.74000 -72.88000 -5.20000 90.33000 -94.72000 9.31000 38.89000 91.06000 0.00000 0.00000 0.00000 2.82000 18.23000 0.00000 -2.33000 0.00000 -2.57000 0.00000 0.00000 64.00000 HSE1_1SEM-15_4.PDB 1.74000 -38.07000 -12.42000 -70.69000 -3.61000 86.02000 -92.42000 8.67000 36.57000 89.39000 0.00000 0.00000 0.00000 2.78000 18.05000 0.00000 -2.73000 0.00000 -1.75000 0.00000 0.00000 64.00000 HSE1_1SEM-15_5.PDB 0.55000 -38.09000 -12.48000 -71.48000 -5.30000 87.96000 -93.20000 8.11000 37.28000 89.85000 0.00000 0.00000 0.00000 2.77000 17.94000 0.00000 -2.41000 0.00000 -2.47000 0.00000 0.00000 64.00000 HSE1_1SEM-15_6.PDB 1.44000 -37.86000 -11.87000 -72.05000 -5.31000 88.12000 -93.99000 8.88000 37.44000 90.26000 0.00000 0.00000 0.00000 2.85000 17.93000 0.00000 -2.55000 0.00000 -2.50000 0.00000 0.00000 64.00000 HSE1_1SEM-15_7.PDB 5.34000 -38.03000 -11.56000 -69.00000 -2.87000 83.87000 -90.83000 9.22000 35.70000 88.77000 0.00000 0.00000 0.00000 3.52000 18.21000 0.00000 -2.14000 0.00000 -1.33000 0.00000 0.00000 64.00000 HSE1_1SEM-15_8.PDB 4.36000 -37.28000 -10.85000 -69.02000 -2.81000 83.06000 -91.30000 8.50000 35.19000 88.70000 0.00000 0.00000 0.00000 3.53000 17.93000 0.00000 -2.10000 0.00000 -1.27000 0.00000 0.00000 64.00000 HSE1_1SEM-15_9.PDB 4.34000 -38.06000 -11.11000 -70.34000 -3.49000 86.06000 -92.37000 8.97000 35.72000 90.40000 0.00000 0.00000 0.00000 2.67000 18.00000 0.00000 -2.38000 0.00000 -1.73000 0.00000 0.00000 64.00000 HSE1_1SEM-15_10.PDB 0.49000 -39.59000 -15.74000 -72.27000 -5.56000 91.06000 -92.25000 8.37000 38.15000 89.83000 0.00000 0.00000 0.00000 3.65000 18.44000 0.00000 -2.21000 0.00000 -2.96000 0.00000 0.00000 64.00000 HSE1_1SEM-15_11.PDB 1.84000 -40.90000 -16.00000 -72.12000 -4.17000 89.48000 -92.88000 10.19000 37.77000 90.82000 0.00000 0.00000 0.00000 4.32000 18.23000 0.00000 -2.60000 0.00000 -2.07000 0.00000 0.00000 64.00000 HSE1_1SEM-15_12.PDB 4.48000 -37.28000 -10.39000 -70.18000 -3.26000 85.23000 -92.19000 8.86000 35.55000 89.45000 0.00000 0.00000 0.00000 2.76000 17.84000 0.00000 -2.32000 0.00000 -1.73000 0.00000 0.00000 64.00000 HSE1_1SEM-15_13.PDB 2.16000 -39.07000 -12.47000 -70.87000 -4.53000 87.40000 -92.57000 8.81000 38.13000 89.46000 0.00000 0.00000 0.00000 3.09000 18.00000 0.00000 -2.92000 0.00000 -2.29000 0.00000 0.00000 64.00000 HSE1_1SEM-15_14.PDB 1.75000 -39.84000 -11.78000 -71.22000 -4.92000 86.72000 -92.99000 8.94000 37.03000 90.39000 0.00000 0.00000 0.00000 3.84000 18.21000 0.00000 -2.36000 0.00000 -2.06000 0.00000 0.00000 64.00000 HSE1_1SEM-15_15.PDB 0.97000 -39.07000 -16.27000 -73.78000 -5.54000 92.90000 -93.84000 8.86000 39.31000 90.71000 0.00000 0.00000 0.00000 3.07000 18.31000 0.00000 -2.40000 0.00000 -2.98000 0.00000 0.00000 64.00000 HSE1_1SEM-15_16.PDB 4.38000 -37.27000 -10.52000 -68.35000 -2.83000 82.69000 -90.39000 8.46000 34.13000 88.43000 0.00000 0.00000 0.00000 3.33000 18.11000 0.00000 -2.05000 0.00000 -1.25000 0.00000 0.00000 64.00000 HSE1_1SEM-15_17.PDB 0.88000 -39.71000 -15.72000 -73.22000 -5.34000 91.64000 -93.31000 8.98000 39.00000 90.80000 0.00000 0.00000 0.00000 3.01000 18.26000 0.00000 -2.30000 0.00000 -2.96000 0.00000 0.00000 64.00000 HSE1_1SEM-15_18.PDB 1.11000 -39.01000 -11.92000 -71.64000 -4.60000 87.41000 -93.52000 8.77000 38.37000 89.93000 0.00000 0.00000 0.00000 2.97000 18.05000 0.00000 -3.34000 0.00000 -2.30000 0.00000 0.00000 64.00000 HSE1_1SEM-15_19.PDB 0.81000 -38.69000 -12.35000 -71.47000 -5.39000 87.61000 -93.10000 8.81000 36.95000 90.27000 0.00000 0.00000 0.00000 3.29000 17.95000 0.00000 -2.61000 0.00000 -2.52000 0.00000 0.00000 64.00000 HSE1_1SEM-15_20.PDB 1.98000 -38.74000 -13.09000 -71.30000 -4.39000 87.34000 -93.17000 9.06000 37.22000 90.80000 0.00000 0.00000 0.00000 2.78000 17.85000 0.00000 -2.41000 0.00000 -2.11000 0.00000 0.00000 64.00000 HSE1_1SEM-15_21.PDB 3.72000 -38.58000 -12.55000 -69.25000 -2.94000 84.37000 -90.78000 8.53000 36.63000 89.10000 0.00000 0.00000 0.00000 2.76000 18.00000 0.00000 -2.15000 0.00000 -1.42000 0.00000 0.00000 64.00000 HSE1_1SEM-15_22.PDB 1.59000 -38.11000 -12.24000 -71.49000 -5.00000 87.63000 -93.26000 8.19000 37.11000 90.53000 0.00000 0.00000 0.00000 3.17000 17.86000 0.00000 -2.62000 0.00000 -2.31000 0.00000 0.00000 64.00000 HSE1_1SEM-15_23.PDB 2.18000 -39.73000 -14.63000 -70.86000 -4.39000 87.75000 -91.36000 8.61000 37.05000 90.77000 0.00000 0.00000 0.00000 3.54000 18.45000 0.00000 -2.39000 0.00000 -2.19000 0.00000 0.00000 64.00000 HSE1_1SEM-15_24.PDB 0.48000 -38.18000 -13.33000 -71.48000 -5.28000 87.72000 -93.32000 8.61000 37.61000 89.82000 0.00000 0.00000 0.00000 2.82000 17.98000 0.00000 -2.29000 0.00000 -2.24000 0.00000 0.00000 64.00000 HSE1_1SEM-15_25.PDB 0.19000 -38.08000 -12.01000 -71.51000 -4.69000 86.68000 -93.57000 8.10000 36.68000 90.03000 0.00000 0.00000 0.00000 2.72000 18.05000 0.00000 -2.38000 0.00000 -1.79000 0.00000 0.00000 64.00000 HSE1_1SEM-15_26.PDB 0.89000 -39.47000 -13.23000 -71.45000 -4.64000 87.65000 -92.90000 8.61000 37.05000 90.67000 0.00000 0.00000 0.00000 2.66000 18.55000 0.00000 -2.14000 0.00000 -1.94000 0.00000 0.00000 64.00000 HSE1_1SEM-15_27.PDB 2.27000 -38.94000 -12.22000 -71.45000 -5.69000 88.28000 -92.91000 9.63000 38.02000 90.03000 0.00000 0.00000 0.00000 2.94000 17.88000 0.00000 -2.76000 0.00000 -2.66000 0.00000 0.00000 64.00000 HSE1_1SEM-15_28.PDB 1.17000 -38.09000 -12.16000 -70.89000 -4.68000 85.94000 -92.89000 8.25000 36.47000 89.75000 0.00000 0.00000 0.00000 3.89000 18.01000 0.00000 -2.47000 0.00000 -1.93000 0.00000 0.00000 64.00000 HSE1_1SEM-15_29.PDB 1.71000 -38.15000 -12.63000 -70.22000 -3.64000 85.71000 -91.78000 8.32000 36.50000 89.25000 0.00000 0.00000 0.00000 2.76000 18.37000 0.00000 -2.64000 0.00000 -1.77000 0.00000 0.00000 64.00000 HSE1_1SEM-15_30.PDB 1.30000 -38.16000 -12.52000 -70.39000 -3.49000 85.41000 -92.66000 8.05000 36.85000 88.87000 0.00000 0.00000 0.00000 3.57000 18.29000 0.00000 -2.62000 0.00000 -1.59000 0.00000 0.00000 64.00000